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Compound Detail

CHEMBL1186395

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COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2cc(-c4ccc(C)cc4)no2)N3C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186395
Phase Preclinical
Structure Type MOL
InChI Key QQRZKRGPBNRGIF-YTAKYCMFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
5.39
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N2O2
MW 388.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine